3-(2,6-dimethylheptan-4-ylamino)-2-methyl-benzoic acid

Systemtic Name: 3-(2,6-dimethylheptan-4-ylamino)-2-methyl-benzoic acid Openeye Name: 3-[(1-isobutyl-3-methyl-butyl)amino]-2-methyl-benzoic acid CAS Name: 3-(2,6-dimethylheptan-4-ylamino)-2-methylbenzoic acid IUPAC Name: 3-(2,6-dimethylheptan-4-ylamino)-2-methylbenzoic acid Traditional Name: 3-[(1-isobutyl-3-methyl-butyl)amino]-2-methyl-benzoic acid Formula: C17H27NO2 MolecularWeight: 277.40178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(CC(C)C)CC(C)C)C(=O)O

Isomeric SMILES

CC1=C(C=CC=C1NC(CC(C)C)CC(C)C)C(=O)O

InChI

InChI=1S/C17H27NO2/c1-11(2)9-14(10-12(3)4)18-16-8-6-7-15(13(16)5)17(19)20/h6-8,11-12,14,18H,9-10H2,1-5H3,(H,19,20)